SCHEMBL19840606

SCHEMBL19840606

O=C(NCCN1CCCCC1)c1nc[nH]c1C(=O)Nc1ccc(NC(=O)c2c(F)cc(F)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.49
▸ KMT2A Q03164 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ATR Q13535 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17148282 0.89 EPHX2 (0.46) EPHX2KMT2ACNR1EGFRLMNA
SCHEMBL17148153 0.88 EPHX2 (0.49) EPHX2KMT2ACNR1LMNAGAA
SCHEMBL17142872 0.84 EPHX2 (0.47) EPHX2KMT2ACNR1LMNAMAPT
SCHEMBL17148246 0.84 KMT2A (0.52) EPHX2KMT2ALMNAATR
SCHEMBL17142435 0.83 EPHX2 (0.48) EPHX2KMT2ACNR1LMNAMAPT
SCHEMBL17148295 0.83 EPHX2 (0.47) EPHX2EGFRLMNACDK1CCNB1
SCHEMBL19840635 0.82 EPHX2 (0.45) EPHX2KMT2ACNR1LMNAMAPT
SCHEMBL17148308 0.82 KMT2A (0.48) EPHX2KMT2ACNR1LMNAMAPT
SCHEMBL19840603 0.81 EPHX2 (0.45) EPHX2KMT2ALMNACDK1CCNB1
SCHEMBL18396142 0.81 HTR3A (0.46) EPHX2KMT2ALMNAMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 — — US disclosed
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